Structure & Deep Data of Piperidine,1-(2-buten-1-yl)- (C9H17N)
Identification of Piperidine,1-(2-buten-1-yl)- Chemical Compound
Chemical Formula | C9H17N |
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Molecular Weight | 139.23798 g/mol |
IUPAC Name | 1-(but-2-en-1-yl)piperidine |
SMILES String | CC=CCN1CCCCC1 |
InChI | InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3 |
InChIKey | XQOHGUZOLKLXLU-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Piperidine,1-(2-buten-1-yl)- molecule contains a total of 27 bond(s). There are 10 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), and 1 tertiary amine(s) (aliphatic). Images of the chemical structure of Piperidine,1-(2-buten-1-yl)- are given below:
The 2D chemical structure image of Piperidine,1-(2-buten-1-yl)- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Piperidine,1-(2-buten-1-yl)- are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Piperidine,1-(2-buten-1-yl)- is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Piperidine,1-(2-buten-1-yl)-. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Piperidine,1-(2-buten-1-yl)- is provided here.
The Piperidine,1-(2-buten-1-yl)- molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Piperidine,1-(2-buten-1-yl)- molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Piperidine,1-(2-buten-1-yl)- can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Piperidine,1-(2-buten-1-yl)- Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Piperidine,1-(2-buten-1-yl)-
The SMILES string of Piperidine,1-(2-buten-1-yl)- is CC=CCN1CCCCC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Piperidine,1-(2-buten-1-yl)-.
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Structure Data File (SDF/MOL File) of Piperidine,1-(2-buten-1-yl)-
The structure data file (SDF/MOL File) of Piperidine,1-(2-buten-1-yl)- is available for download in the SDF page of Piperidine,1-(2-buten-1-yl)-, which provides the information about the atoms, bonds, connectivity and coordinates of Piperidine,1-(2-buten-1-yl)-. The Piperidine,1-(2-buten-1-yl)- structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Piperidine,1-(2-buten-1-yl)-
The molecular formula of Piperidine,1-(2-buten-1-yl)- is available in chemical formula page of Piperidine,1-(2-buten-1-yl)-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Piperidine,1-(2-buten-1-yl)-
The molecular weight of Piperidine,1-(2-buten-1-yl)- is available in molecular weight page of Piperidine,1-(2-buten-1-yl)-, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Piperidine,1-(2-buten-1-yl)-
The Piperidine,1-(2-buten-1-yl)- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Piperidine,1-(2-buten-1-yl)- including the various registry numbers, if available:
- Piperidine,1-(2-buten-1-yl)-
Piperidine,1-(2-buten-1-yl)- Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Piperidine,1-(2-buten-1-yl)-? |
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C9H17N |
How many atoms and what are the elements included the Piperidine,1-(2-buten-1-yl)- molecule? |
27 atom(s) - 17 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) |
How many chemical bonds and what kind of bonds are included the Piperidine,1-(2-buten-1-yl)- structure? |
27 bond(s) - 10 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), and 1 tertiary amine(s) (aliphatic) |
What’s the Piperidine,1-(2-buten-1-yl)-’s molecular weight? |
139.23798 g/mol |
What’s the SMILES code of Piperidine,1-(2-buten-1-yl)-? |
CC=CCN1CCCCC1 |
What’s the InChI string of Piperidine,1-(2-buten-1-yl)-? |
InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3 |
What’s the InChIKey code of Piperidine,1-(2-buten-1-yl)-? |
XQOHGUZOLKLXLU-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).